2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol

C29H27NO2 — CID 135891732

IUPAC2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C29H27NO2/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-19,21,27,31-32H,20H2,1H3/b30-21+/t27-/m0/s1
InChIKeyBIGLKXQPJLZKQJ-USSKXLBJSA-N
MW421.54 g/mol
LogP5.67
Rot. Bonds7

About 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol

2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol (PubChem CID 135891732) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
PubChem CID135891732
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C29H27NO2/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-19,21,27,31-32H,20H2,1H3/b30-21+/t27-/m0/s1
InChIKeyBIGLKXQPJLZKQJ-USSKXLBJSA-N
XLogP5.67
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol
CID 135934907
(2S)-2-[(2-diphenylphosphanylphenyl)methylideneamino]-1,1,3-triphenylpropan-1-ol
CID 24882028
2,4-ditert-butyl-6-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]phenol;dichlorotitanium;oxolane
CID 135455011
(2S)-4-methyl-2-(naphthalen-1-ylmethylideneamino)-1,1-diphenylpentan-1-ol
CID 101464213
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-[(1-hydroxy-1,1-diphenylpropan-2-yl)iminomethyl]-6-methoxyphenol
CID 140610697
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-N-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-3-methylbutanamide
CID 136729180
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-[[1,1-bis(5-tert-butyl-2-methoxyphenyl)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-6-tert-butyl-3-methylphenol
CID 139698094
2-[[1,1-bis(5-tert-butyl-2-methoxyphenyl)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-6-tert-butyl-4-methoxyphenol
CID 139698035
2-(naphthalen-1-ylmethylideneamino)-1,1,2-triphenylethanol
CID 72994394

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The IUPAC name of 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol (CID 135891732) is 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The canonical SMILES for 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol is Cc1cccc(/C=N/[C@@H](Cc2ccccc2)C(O)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
The InChIKey is BIGLKXQPJLZKQJ-USSKXLBJSA-N. The full InChI is InChI=1S/C29H27NO2/c1-22-12-11-15-24(28(22)31)21-30-27(20-23-13-5-2-6-14-23)29(32,25-16-7-3-8-17-25)26-18-9-4-10-19-26/h2-19,21,27,31-32H,20H2,1H3/b30-21+/t27-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol?
2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol has a molecular weight of 421.54 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 135891732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).